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Chemical ID: 7294420
Chemical ID:
7294420
Name [?]:
N-(4-chlorophenyl)-2-(2-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H11ClN2O2/c16-12-5-7-13(8-6-12)18-15(19)10-20-14-4-2-1-3-11(14)9-17/h1-8H,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,7,10,5,17,14,4,11,20,8,13,12,9/E:(5,6)(7,8)/rA:20nCCCCCCCNOCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68144 |
Area: | 495.354 |
Solvation: | -4.70242 |
Coulombic: | -32.0777 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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